SCHEMBL6015097

SCHEMBL6015097

Cc1ncc2n1C(=O)N(N1CCN(C(=O)[C@@H](Cc3ccncc3)NC(=O)O)CC1)C2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.44
CHRM1 P11229 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
MMP1 P03956 2/20 0.35
MMP3 P08254 2/20 0.35
METAP1 P53582 1/20 0.35
P2RY12 Q9H244 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6015135 0.93 ALDH1A1 (0.46) F10SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL3450361 0.89 HRH2 (0.49) F10KMT2AHRH2HRH1
SCHEMBL3451657 0.87 F10 (0.45) F10CHRM1ALDH1A1
Trifluoroacetic Acid SCHEMBL3451958 0.85 F10 (0.42) F10CHRM1ALDH1A1MMP1MMP3
SCHEMBL3450371 0.82 F10 (0.42) F10CHRM1SMN1; SMN2KDM4EALDH1A1
SCHEMBL6014981 0.81 F10 (0.43) F10KDM4EHSD17B10ALDH1A1KMT2A
SCHEMBL3450519 0.81 FPR2 (0.49) F10CHRM1ALDH1A1MMP1MMP3
SCHEMBL3448772 0.81 FPR2 (0.49) F10CHRM1ALDH1A1MMP1MMP3
SCHEMBL6015040 0.79 F10 (0.45) F10KMT2AP2RY12
SCHEMBL3449377 0.79 F10 (0.46) F10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed